2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-[(1S)-1-phenylpropyl]acetamide

C25H28N2O4S — CID 28635265

IUPAC2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-[(1S)-1-phenylpropyl]acetamide
SMILESCC[C@H](NC(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C25H28N2O4S/c1-4-22(20-11-7-5-8-12-20)26-25(28)18-27(23-17-19(2)15-16-24(23)31-3)32(29,30)21-13-9-6-10-14-21/h5-17,22H,4,18H2,1-3H3,(H,26,28)/t22-/m0/s1
InChIKeyGORAMRIGHSJYRF-QFIPXVFZSA-N
MW452.58 g/mol
LogP4.47
Rot. Bonds9

About 2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-[(1S)-1-phenylpropyl]acetamide

2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-[(1S)-1-phenylpropyl]acetamide (PubChem CID 28635265) has the molecular formula C25H28N2O4S and a molecular weight of 452.58 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-[(1S)-1-phenylpropyl]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-[(1S)-1-phenylpropyl]acetamide
PubChem CID28635265
Molecular FormulaC25H28N2O4S
Molecular Weight452.58 g/mol
Exact Mass452.18
IUPAC Name2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-[(1S)-1-phenylpropyl]acetamide
SMILESCC[C@H](NC(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C25H28N2O4S/c1-4-22(20-11-7-5-8-12-20)26-25(28)18-27(23-17-19(2)15-16-24(23)31-3)32(29,30)21-13-9-6-10-14-21/h5-17,22H,4,18H2,1-3H3,(H,26,28)/t22-/m0/s1
InChIKeyGORAMRIGHSJYRF-QFIPXVFZSA-N
XLogP4.47
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 30304509
2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-[1-(2,4-dimethylphenyl)propyl]acetamide
CID 43892614
2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 92676327
2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-[(1S)-1-(4-methoxyphenyl)propyl]acetamide
CID 30175779
2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)-N-[(1S)-1-phenylpropyl]acetamide
CID 92671566
2-(5-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-2-methoxyanilino)-N-(1-phenylpropyl)acetamide
CID 43885299
2-(N-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethylanilino)-N-[(1R)-1-phenylpropyl]acetamide
CID 38014275
2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-[1-(2,4-dimethylphenyl)ethyl]acetamide
CID 43892934
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(1-phenylpropyl)acetamide
CID 43902119
2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[1-(4-methylphenyl)propyl]acetamide
CID 43901964
2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[1-(3,4-dimethoxyphenyl)propyl]acetamide
CID 43892812
2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-phenylpropyl]acetamide
CID 28567224

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-[(1S)-1-phenylpropyl]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-[(1S)-1-phenylpropyl]acetamide (CID 28635265) is 2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-[(1S)-1-phenylpropyl]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-[(1S)-1-phenylpropyl]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-[(1S)-1-phenylpropyl]acetamide is CC[C@H](NC(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-[(1S)-1-phenylpropyl]acetamide?
The InChIKey is GORAMRIGHSJYRF-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H28N2O4S/c1-4-22(20-11-7-5-8-12-20)26-25(28)18-27(23-17-19(2)15-16-24(23)31-3)32(29,30)21-13-9-6-10-14-21/h5-17,22H,4,18H2,1-3H3,(H,26,28)/t22-/m0/s1.
What are the key properties of 2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-[(1S)-1-phenylpropyl]acetamide?
2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-[(1S)-1-phenylpropyl]acetamide has a molecular weight of 452.58 g/mol, XLogP of 4.47, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-[(1S)-1-phenylpropyl]acetamide is sourced from PubChem (CID 28635265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).